SCHEMBL4230666

SCHEMBL4230666

CCOC(=O)CC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCRL2 O00421 1/20 0.36
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
MCHR1 Q99705 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
CETP P11597 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHR1 P34998 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4218956 1.00 KDM4E (0.39) KDM4EL3MBTL1CCRL2HTR1AADRA2A
SCHEMBL680521 0.88 KDM4E (0.35) KDM4EL3MBTL1CCRL2HTR1AADRA2A
SCHEMBL4228105 0.87 KDM4E (0.41) KDM4EL3MBTL1CCRL2HTR1AADRA2A
SCHEMBL4228109 0.87 KDM4E (0.41) KDM4EL3MBTL1CCRL2HTR1AADRA2A
SCHEMBL680446 0.86 CETP (0.48) KDM4ECETP
SCHEMBL680445 0.86 CETP (0.48) KDM4ECETP
SCHEMBL680996 0.86 GPBAR1 (0.40) KDM4EL3MBTL1CCRL2POLBCETP
SCHEMBL680997 0.86 GPBAR1 (0.40) KDM4EL3MBTL1CCRL2POLBCETP
SCHEMBL4234057 0.86 GPBAR1 (0.37) HTR1AADRA2AADRA1AHTR2BMCHR1
SCHEMBL680449 0.85 CETP (0.38) KDM4EL3MBTL1CCRL2HTR1AADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
EP-1968941-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP KDM4E 1219/4885L3MBTL1 4513/4885CCRL2 3620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.